matteoferla/Fragmenstein

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fragmenstein/demo/mac1_mols/diamond-x0805_A.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
   -4.3450   15.4970    0.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1810   15.5290   -0.2240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1110   14.6970   -1.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370   14.1500   -4.2120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9380   14.8200   -2.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2630   10.9150   -2.8150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200   14.0210   -3.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9680   12.7430   -1.8240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6830   13.0880   -3.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8520   12.9660   -2.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0820   13.7800   -1.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570   14.1750   -4.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4350   15.3210   -3.5020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   15.3860   -4.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6690   13.0760   -4.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3270   12.8410   -4.1280 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5560   12.1700   -2.8000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  5  2  0
  3 11  1  0
  5  7  1  0
 11 10  2  0
  4 14  1  0
  4 15  1  0
 14 13  1  0
 15 16  1  0
  7  9  2  0
 12  7  1  1
  6 17  1  0
 17  8  2  0
 16 17  1  1
  9 10  1  0
 12 13  1  0
 12 16  1  0
M  END